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5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-, 2-(methylthio)ethyl ester

View entire compound with spectra: 1 NMR

5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
SpectraBase Compound ID D1puyVmYHzT
InChI InChI=1S/C16H19N3O7S/c1-8-12(15(21)26-4-5-27-3)13(18-16(22)17-8)9-6-10(19(23)24)14(20)11(7-9)25-2/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)
InChIKey UVGACNYOLGHBLQ-UHFFFAOYSA-N
Mol Weight 397.4 g/mol
Molecular Formula C16H19N3O7S
Exact Mass 397.094371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HsEbMFYb9q3
Name 5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-, 2-(methylthio)ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.094371131 u
Formula C16H19N3O7S
InChI InChI=1S/C16H19N3O7S/c1-8-12(15(21)26-4-5-27-3)13(18-16(22)17-8)9-6-10(19(23)24)14(20)11(7-9)25-2/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)
InChIKey UVGACNYOLGHBLQ-UHFFFAOYSA-N
Molecular Weight 397.402 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6143
Solvent DMSO-d6
Source Vendor ID: NMR/11221246; Lab Info: SAS; Lab Number: SAS-tst4579